RefChem:449600
2-[[5-(anilinomethyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: 1-(4-Chlorophenyl)-2-((5-((phenylamino)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone|2-[[5-(anilinomethyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone|2-{[5-(ANILINOMETHYL)-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(4-CHLOROPHENYL)ETHANONE|2-((5-(ANILINOMETHYL)-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-(4-CHLOROPHENYL)ETHANONE|644-765-4
| Molecular Formula | C24H21ClN4OS |
|---|---|
| Molecular Weight | 448.11246 g/mol |
| LogP | 5.81622 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.11246 |
| Monoisotopic Mass | 448.11246 |
| Heavy Atoms | 31 |
| Complexity | 1175.9258 |
Chemical Identifiers
| CAS Number | 618441-40-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)CNC4=CC=CC=C4 |
Product Overview
RefChem:449600 (CAS 618441-40-0), with molecular formula C24H21ClN4OS and molecular weight 448.11246 g/mol. IUPAC: 2-[[5-(anilinomethyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone.
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